5U3L
Crystal Structure of DH511.2 Fab in Complex with HIV-1 gp41 MPER 670-683 Peptide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-07-08 |
| Detector | RAYONIX MX300-HS |
| Wavelength(s) | 1.0000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 110.072, 75.644, 123.427 |
| Unit cell angles | 90.00, 94.11, 90.00 |
Refinement procedure
| Resolution | 42.510 - 2.165 |
| R-factor | 0.2061 |
| Rwork | 0.205 |
| R-free | 0.23090 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5u3p |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.554 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 42.510 | 50.000 | 2.230 |
| High resolution limit [Å] | 2.170 | 4.970 | 2.170 |
| Rmerge | 0.098 | 0.057 | 0.498 |
| Rmeas | 0.109 | ||
| Rpim | 0.045 | ||
| Total number of observations | 259846 | ||
| Number of reflections | 51031 | ||
| <I/σ(I)> | 8.3 | ||
| Completeness [%] | 93.5 | 99.7 | 52.5 |
| Redundancy | 5.1 | 5.7 | 2.6 |
| CC(1/2) | 0.997 | 0.815 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 293 | 20% PEG 8000, 10% PEG 400, 0.5 M NaCl, 0.1 M C2H3NaO2 pH 5.5 |
